Basic information
- CAS
17429-56-0- Standard SMILES
CCC1(C)C(=O)C(=Cc2ccco2)CCC1C- InChIKey
UKVXZCRLLFVABE-UHFFFAOYSA-N- Molecular formula
- C15H20O2
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.14632988
Names & identifiers
- Preferred name
- 2-Ethyl-6-(furan-2-ylmethylidene)-2,3-dimethylcyclohexan-1-one
- IUPAC
- 2-ethyl-6-(furan-2-ylmethylidene)-2,3-dimethylcyclohexan-1-one
- English name
- 2-Ethyl-6-furfurylidene-2,3-dimethylcyclohexanone
- Molecular weight
- 232.32
Names & synonyms
17429-56-0AGN-PC-0JTKWU2-ethyl-6-(furan-2-ylmethylidene)-2,3-dimethylcyclohexan-1-oneDTXSID103449222-ethyl-6-[(furan-2-yl)methylidene]-2,3-dimethylcyclohexan-1-one2-Ethyl-6-furfurylidene-2,3-dimethylcyclohexanone
Database identifiers
- CAS
17429-56-0- PubChem CID
- 600397
- DTXSID
DTXSID10344922
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Boiling point
- 332.209 · 332.209±31.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.012 · 1.012±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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